4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide

C30H41NO2SeSi2 — CID 10769600

IUPAC4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide
SMILESCCN(CC)C(=O)C(CC(C)O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C)[Se]c1ccccc1
InChIInChI=1S/C30H41NO2SeSi2/c1-7-31(8-2)30(32)29(34-26-18-12-9-13-19-26)24-25(3)33-36(35(4,5)6,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h9-23,25,29H,7-8,24H2,1-6H3
InChIKeyWFQZPRHIJBRUMG-UHFFFAOYSA-N
MW582.80 g/mol
LogP4.64
Rot. Bonds12

About 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide

4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide (PubChem CID 10769600) has the molecular formula C30H41NO2SeSi2 and a molecular weight of 582.80 g/mol. Its IUPAC name is 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide.

Molecular Properties

Compound Name4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide
PubChem CID10769600
Molecular FormulaC30H41NO2SeSi2
Molecular Weight582.80 g/mol
Exact Mass583.18
IUPAC Name4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide
SMILESCCN(CC)C(=O)C(CC(C)O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C)[Se]c1ccccc1
InChIInChI=1S/C30H41NO2SeSi2/c1-7-31(8-2)30(32)29(34-26-18-12-9-13-19-26)24-25(3)33-36(35(4,5)6,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h9-23,25,29H,7-8,24H2,1-6H3
InChIKeyWFQZPRHIJBRUMG-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide?
The IUPAC name of 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide (CID 10769600) is 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide.
What is the SMILES notation for 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide?
The canonical SMILES for 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide is CCN(CC)C(=O)C(CC(C)O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C)[Se]c1ccccc1.
What is the InChIKey of 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide?
The InChIKey is WFQZPRHIJBRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NO2SeSi2/c1-7-31(8-2)30(32)29(34-26-18-12-9-13-19-26)24-25(3)33-36(35(4,5)6,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h9-23,25,29H,7-8,24H2,1-6H3.
What are the key properties of 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide?
4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide has a molecular weight of 582.80 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide is sourced from PubChem (CID 10769600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).